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4QX1

Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSLAC LCLS BEAMLINE CXI
Synchrotron siteSLAC LCLS
BeamlineCXI
Temperature [K]298
Detector technologyPIXEL
Collection date2013-03-11
DetectorCornell-SLAC Pixel Array Detector (CSPAD)
Wavelength(s)1.456
Spacegroup nameC 2 2 21
Unit cell lengths117.100, 135.400, 105.600
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.290 - 2.800
R-factor0.179
Rwork0.178
R-free0.19730
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1dlc
RMSD bond length0.010
RMSD bond angle1.020
Data reduction softwareCrystFEL
Data scaling softwareCrystFEL
Refinement softwareBUSTER-TNT
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]88.6002.900
High resolution limit [Å]2.8002.800
Rmerge0.1590.412
Number of reflections21038
<I/σ(I)>9.51.6
Completeness [%]100.0100
Redundancy1128691.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1IN VIVO CRYSTALLIZATION303Cry3A crystallized within the bacterial cell, IN VIVO CRYSTALLIZATION, temperature 303K

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數據於2024-09-18公開中

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